Ethyl 7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
• CAS No.: 106944-52-9
• Molecular Formula: C14H17 N O3
• Molecular Weight: 247.28968
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10544743
• Wikidata: Q82421992
• Mol file: 106944-52-9.mol

Synonyms:106944-52-9;Ethyl 7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate;ethyl 7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate;Ethyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carboxylate;DTXSID10544743;AKOS022180598;TS-03400;7,7-dimethyl-5-oxo-6,8-dihydro-quinoline-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

Chemical Property:

• Boiling Point: 108-109 °C(Press: 0.025 Torr)
• PKA: 1.94±0.40(Predicted)
• PSA: 56.26000
• Density: 1.130±0.06 g/cm3(Predicted)
• LogP: 2.41340
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 351

Purity/Quality:

95% ^*data from raw suppliers

Ethyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)N=C1

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